2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide

C24H30BrN5O2 — CID 166391911

IUPAC2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C24H30BrN5O2/c1-5-6-19(30-23(32)26-14-15-7-9-16(25)10-8-15)21(31)27-17-11-12-18-20(13-17)29-22(28-18)24(2,3)4/h7-13,19H,5-6,14H2,1-4H3,(H,27,31)(H,28,29)(H2,26,30,32)
InChIKeyQFMGRQOZHTZPBP-UHFFFAOYSA-N
MW500.44 g/mol
LogP5.23
Rot. Bonds7

About 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide

2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide (PubChem CID 166391911) has the molecular formula C24H30BrN5O2 and a molecular weight of 500.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide
PubChem CID166391911
Molecular FormulaC24H30BrN5O2
Molecular Weight500.44 g/mol
Exact Mass499.16
IUPAC Name2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C24H30BrN5O2/c1-5-6-19(30-23(32)26-14-15-7-9-16(25)10-8-15)21(31)27-17-11-12-18-20(13-17)29-22(28-18)24(2,3)4/h7-13,19H,5-6,14H2,1-4H3,(H,27,31)(H,28,29)(H2,26,30,32)
InChIKeyQFMGRQOZHTZPBP-UHFFFAOYSA-N
XLogP5.23
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.44
LogP ≤ 55.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide?
The IUPAC name of 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide (CID 166391911) is 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide?
The canonical SMILES for 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide is CCCC(NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide?
The InChIKey is QFMGRQOZHTZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN5O2/c1-5-6-19(30-23(32)26-14-15-7-9-16(25)10-8-15)21(31)27-17-11-12-18-20(13-17)29-22(28-18)24(2,3)4/h7-13,19H,5-6,14H2,1-4H3,(H,27,31)(H,28,29)(H2,26,30,32).
What are the key properties of 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide?
2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide has a molecular weight of 500.44 g/mol, XLogP of 5.23, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide is sourced from PubChem (CID 166391911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).